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Cover Image, Volume 35, Issue 7
Publication year - 2014
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.23554
Subject(s) - cover (algebra) , saddle point , citation , volume (thermodynamics) , computer science , image (mathematics) , point (geometry) , login , information retrieval , algorithm , world wide web , artificial intelligence , mathematics , geometry , physics , thermodynamics , engineering , computer security , mechanical engineering
The article by Luís Viegas and António Varandas on page 507 demonstrates that single‐point energy calculations at a higher level of theory often do poorly in reproducing the topography of actual lowlevel optimized potential energy surfaces. The cover illustrates this concept with the saddle points centered at the dots.